%chk=000049402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049402

0 1
 N    4.121800     -0.8916000     -0.3783000    
 C    1.898900     -0.8042000      0.8322000    
 C    2.696600      -1.208200     -0.4389000    
 C   0.4431000      -1.160400      0.5736000    
 C  -0.5139000     -0.3768000      3.9000001E-02
 C    2.357300      -1.625100       2.054700    
 C    2.119800      0.6913000       1.143600    
 C   -1.889100     -0.9160000     -0.1325000    
 C  -0.1371000       1.023900     -0.2457000    
 C   -3.088700       1.187000      0.8516000    
 C   -1.819200       1.752300       1.489700    
 C   -3.050000     -0.2017000      0.2382000    
 C  -0.7647000       2.064600      0.4591000    
 C   -2.037700      -2.180900     -0.7438000    
 C   0.8329000       1.325900      -1.213400    
 C   -4.311800     -0.7879000     -8.6000003E-03
 C  -0.4059000       3.392900      0.1892000    
 C    4.777700      -1.238400      -1.639100    
 C    4.756000      -1.594700      0.7368000    
 C   -3.294800      -2.742100     -0.9664000    
 C    1.180600       2.651400      -1.472800    
 C   -4.434300      -2.045000     -0.5964000    
 C   0.5626000       3.683500     -0.7715000    
 H    2.578800      -2.294400     -0.5842000    
 H    2.288200     -0.7907000      -1.350700    
 H   0.1895000      -2.193400      0.8162000    
 H    3.175400      -1.208400       2.641200    
 H    2.539600      -2.678300       1.816500    
 H    1.539100      -1.648500       2.791600    
 H    1.328200       1.152900       1.738100    
 H    2.975600      0.7693000       1.833700    
 H    2.498100       1.305000      0.3302000    
 H   -3.443500       1.880500      7.6800004E-02
 H   -3.852800       1.174900       1.641100    
 H   -1.414600       1.067800       2.245900    
 H   -2.081700       2.670800       2.030200    
 H   -1.167100      -2.746400      -1.072100    
 H    1.210800      0.5799000      -1.896400    
 H   -5.220700     -0.2522000      0.2600000    
 H  -0.8825000       4.211600      0.7224000    
 H    4.320600     -0.6965000      -2.474900    
 H    4.723100      -2.312200      -1.852500    
 H    5.832500     -0.9418000      -1.621500    
 H    4.750400     -0.9958000       1.646300    
 H    5.835300      -1.680000      0.5419000    
 H    4.424700      -2.627600      0.8750000    
 H   -3.379500      -3.717300      -1.436400    
 H    1.905200       2.880800      -2.248700    
 H   -5.417500      -2.471100     -0.7718000    
 H   0.8267000       4.716100     -0.9803000    


%chk=000049402-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049402

0 1
N 4.277876 -1.354225 0.063133
C 1.956122 -0.870653 1.047558
C 2.816325 -1.381729 -0.175723
C 0.477389 -1.088587 0.713288
C -0.465062 -0.291802 0.114899
C 2.296527 -1.751044 2.283827
C 2.334822 0.592919 1.390057
C -1.867276 -0.826379 -0.046410
C -0.225760 1.082731 -0.440478
C -3.090013 1.299909 0.937491
C -1.752315 1.948942 1.376507
C -3.047437 -0.098340 0.306255
C -0.842722 2.200577 0.189415
C -2.014162 -2.131248 -0.603423
C 0.548737 1.284968 -1.609402
C -4.311378 -0.711074 0.088138
C -0.634068 3.497847 -0.334772
C 5.005398 -0.317162 -0.690774
C 4.940553 -2.669441 0.015048
C -3.275685 -2.722373 -0.807733
C 0.745332 2.583132 -2.132717
C -4.441111 -2.002157 -0.459795
C 0.160751 3.696425 -1.487560
H 2.495136 -2.417935 -0.410825
H 2.559971 -0.763256 -1.060968
H 0.106595 -2.072344 1.045554
H 3.380502 -1.692581 2.485852
H 2.027212 -2.811777 2.113092
H 1.748637 -1.400335 3.177915
H 1.722424 0.965279 2.232225
H 3.396623 0.621532 1.694421
H 2.194059 1.280652 0.540691
H -3.586305 1.986601 0.220704
H -3.757681 1.249372 1.821178
H -1.250619 1.289256 2.110684
H -1.981312 2.900413 1.891671
H -1.108863 -2.671002 -0.902965
H 0.984632 0.417946 -2.117981
H -5.215055 -0.153361 0.367571
H -1.098669 4.358024 0.163166
H 4.517998 0.662378 -0.552062
H 5.059303 -0.523034 -1.790641
H 6.041247 -0.236566 -0.311631
H 4.421760 -3.378052 0.683678
H 5.983693 -2.574530 0.370219
H 4.969877 -3.119374 -1.010332
H -3.349399 -3.724500 -1.244672
H 1.347069 2.722708 -3.037857
H -5.434031 -2.438874 -0.614763
H 0.314354 4.706923 -1.882850


